N-[(1R)-1-(benzotriazol-1-yl)-2-methyl-propyl]-3-nitro-aniline

Systemtic Name: N-[(1R)-1-(benzotriazol-1-yl)-2-methyl-propyl]-3-nitro-aniline Openeye Name: N-[(1R)-1-(benzotriazol-1-yl)-2-methyl-propyl]-3-nitro-aniline CAS Name: N-[(1R)-1-(1-benzotriazolyl)-2-methylpropyl]-3-nitroaniline IUPAC Name: N-[(1R)-1-(benzotriazol-1-yl)-2-methylpropyl]-3-nitroaniline Traditional Name: [(1R)-1-(benzotriazol-1-yl)-2-methyl-propyl]-(3-nitrophenyl)amine Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC1=CC(=CC=C1)[N+](=O)[O-])N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)[C@H](NC1=CC(=CC=C1)[N+](=O)[O-])N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H17N5O2/c1-11(2)16(17-12-6-5-7-13(10-12)21(22)23)20-15-9-4-3-8-14(15)18-19-20/h3-11,16-17H,1-2H3/t16-/m1/s1